Geometry & MOs

Info

ID:	339550
PubChem CID:	127261540
Reduced:	SN5O5C18H19 (1)
Stoich.:	AB5C5D18E19 (1)
Weight, g/mol:	384.157974
ΔH_f, kcal/mol:	-116.27
Dipole, Da:	5.36
IP(EA), eV:	-9.0(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R)-2-[2-amino-6-[3-(dimethylamino)propylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)CSC2=NC(=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N

DOS

IR

Vibrations